hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride

C12H20ClNO2 — CID 67107982

IUPAChydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
SMILESCC(C)(CO)NCC(O)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10;/h3-7,11,13-15H,8-9H2,1-2H3;1H
InChIKeyVJOOWJGUDMCBMI-UHFFFAOYSA-N
MW245.75 g/mol
LogP-1.80
Rot. Bonds5

About hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride

hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride (PubChem CID 67107982) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride.

Molecular Properties

Compound Namehydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
PubChem CID67107982
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Namehydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
SMILESCC(C)(CO)NCC(O)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10;/h3-7,11,13-15H,8-9H2,1-2H3;1H
InChIKeyVJOOWJGUDMCBMI-UHFFFAOYSA-N
XLogP-1.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
CID 22769489
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
[(1R,2S)-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-phenylpropyl]-methanidylazanium
CID 87107021
2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 19831980
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
CID 13079634
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride?
The IUPAC name of hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride (CID 67107982) is hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride.
What is the SMILES notation for hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride?
The canonical SMILES for hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride is CC(C)(CO)NCC(O)c1ccccc1.[Cl-].[H+].
What is the InChIKey of hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride?
The InChIKey is VJOOWJGUDMCBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10;/h3-7,11,13-15H,8-9H2,1-2H3;1H.
What are the key properties of hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride?
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride has a molecular weight of 245.75 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride is sourced from PubChem (CID 67107982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).